[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C15H15N5O8S2 MolecularWeight: 457.4383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C15H15N5O8S2/c16-10-2-1-8(5-11(10)20(24)25)30(26,27)18-6-13(22)28-7-12(21)19-15-9(14(17)23)3-4-29-15/h1-5,18H,6-7,16H2,(H2,17,23)(H,19,21)